Projects per year
Abstract
A simulation technique is described for quantifying the contribution of three-body interactions to the thermodynamical properties of coarse-grained representations of complex fluids. The method is based on a new approach for determining virial coefficients from the measured volume-dependent asymptote of a certain structural function. By comparing the third virial coefficient B for a complex fluid with that of an approximate coarse-grained model described by a pair potential, three body effects can be quantified. The strategy is applicable to both Molecular Dynamics and Monte Carlo simulation. Its utility is illustrated via measurements of three-body effects in models of star polymers and in highly size-asymmetrical colloid-polymer mixtures.
Original language | English |
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Article number | 244118 |
Pages (from-to) | 1 - 12 |
Number of pages | 12 |
Journal | Journal of Chemical Physics |
Volume | 140 |
Issue number | 24 |
Early online date | 30 Jun 2014 |
DOIs | |
Publication status | Published - 30 Jun 2014 |
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Dive into the research topics of 'Three-body interactions in complex fluids: virial coefficients from simulation finite-size effects'. Together they form a unique fingerprint.Projects
- 1 Finished
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Lock and Key colloids: Controlling Self Assembly via Depletion Forces
Wilding, N. (PI) & Jack, R. (CoI)
Engineering and Physical Sciences Research Council
1/05/12 → 30/04/15
Project: Research council
Equipment
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High Performance Computing (HPC) Facility
Chapman, S. (Manager)
University of BathFacility/equipment: Facility